dibutyl(2-hexoxyethyl)azanium chloride

C16H36ClNO — CID 18529341

IUPACdibutyl(2-hexoxyethyl)azanium chloride
SMILESCCCCCCOCC[NH+](CCCC)CCCC.[Cl-]
InChIInChI=1S/C16H35NO.ClH/c1-4-7-10-11-15-18-16-14-17(12-8-5-2)13-9-6-3;/h4-16H2,1-3H3;1H
InChIKeyADNVBWOYSCOBHZ-UHFFFAOYSA-N
MW293.92 g/mol
LogP0.07
Rot. Bonds14

About dibutyl(2-hexoxyethyl)azanium chloride

dibutyl(2-hexoxyethyl)azanium chloride (PubChem CID 18529341) has the molecular formula C16H36ClNO and a molecular weight of 293.92 g/mol. Its IUPAC name is dibutyl(2-hexoxyethyl)azanium chloride.

Molecular Properties

Compound Namedibutyl(2-hexoxyethyl)azanium chloride
PubChem CID18529341
Molecular FormulaC16H36ClNO
Molecular Weight293.92 g/mol
Exact Mass293.25
IUPAC Namedibutyl(2-hexoxyethyl)azanium chloride
SMILESCCCCCCOCC[NH+](CCCC)CCCC.[Cl-]
InChIInChI=1S/C16H35NO.ClH/c1-4-7-10-11-15-18-16-14-17(12-8-5-2)13-9-6-3;/h4-16H2,1-3H3;1H
InChIKeyADNVBWOYSCOBHZ-UHFFFAOYSA-N
XLogP0.07
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.92
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexoxyhexane;yttrium
CID 87066735
butyl-hexyl-pentylazanium chloride
CID 139955344
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
2-hydroxyethyl-bis[2-[(Z)-octadec-9-enoxy]ethyl]azanium chloride
CID 139892563
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of dibutyl(2-hexoxyethyl)azanium chloride?
The IUPAC name of dibutyl(2-hexoxyethyl)azanium chloride (CID 18529341) is dibutyl(2-hexoxyethyl)azanium chloride.
What is the SMILES notation for dibutyl(2-hexoxyethyl)azanium chloride?
The canonical SMILES for dibutyl(2-hexoxyethyl)azanium chloride is CCCCCCOCC[NH+](CCCC)CCCC.[Cl-].
What is the InChIKey of dibutyl(2-hexoxyethyl)azanium chloride?
The InChIKey is ADNVBWOYSCOBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO.ClH/c1-4-7-10-11-15-18-16-14-17(12-8-5-2)13-9-6-3;/h4-16H2,1-3H3;1H.
What are the key properties of dibutyl(2-hexoxyethyl)azanium chloride?
dibutyl(2-hexoxyethyl)azanium chloride has a molecular weight of 293.92 g/mol, XLogP of 0.07, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(2-hexoxyethyl)azanium chloride is sourced from PubChem (CID 18529341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).